Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 269.3 BDBM50010953

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50010953 (2,3,5-Trimethyl-6-(1-pyridin-3-yl-propyl)-[1,4]ben...) Show SMILES CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:1.0| Show InChI InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h5-9,19-20H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Reduction of lipid peroxide formed in rat brain homogenates.				J Med Chem 34: 267-76 (1991) BindingDB Entry DOI: 10.7270/Q2SN07X9
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50010953 (2,3,5-Trimethyl-6-(1-pyridin-3-yl-propyl)-[1,4]ben...) Show SMILES CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:1.0| Show InChI InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h5-9,19-20H,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...				J Med Chem 34: 267-76 (1991) BindingDB Entry DOI: 10.7270/Q2SN07X9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50010953 (2,3,5-Trimethyl-6-(1-pyridin-3-yl-propyl)-[1,4]ben...) Show SMILES CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O |w:1.0| Show InChI InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h5-9,19-20H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Reduction of lipid peroxide formed in rat brain homogenates.				J Med Chem 34: 267-76 (1991) BindingDB Entry DOI: 10.7270/Q2SN07X9
					More data for this Ligand-Target Pair